4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methylamino]benzoate

Systemtic Name: 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methylamino]benzoate Openeye Name: 4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoate CAS Name: 4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoate IUPAC Name: 4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoate Traditional Name: 4-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)methylamino]benzoate Formula: C15H14N5O4- MolecularWeight: 328.30276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CNC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CNC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H15N5O4/c1-19-12-11(13(21)20(2)15(19)24)17-10(18-12)7-16-9-5-3-8(4-6-9)14(22)23/h3-6,16H,7H2,1-2H3,(H,17,18)(H,22,23)/p-1